1-(3,3,7-trimethyloctyl)pyrrolidine

C15H31N — CID 123349263

IUPAC1-(3,3,7-trimethyloctyl)pyrrolidine
SMILESCC(C)CCCC(C)(C)CCN1CCCC1
InChIInChI=1S/C15H31N/c1-14(2)8-7-9-15(3,4)10-13-16-11-5-6-12-16/h14H,5-13H2,1-4H3
InChIKeyYJUZAAOSDVYHJK-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.32
Rot. Bonds7

About 1-(3,3,7-trimethyloctyl)pyrrolidine

1-(3,3,7-trimethyloctyl)pyrrolidine (PubChem CID 123349263) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-(3,3,7-trimethyloctyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,3,7-trimethyloctyl)pyrrolidine
PubChem CID123349263
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-(3,3,7-trimethyloctyl)pyrrolidine
SMILESCC(C)CCCC(C)(C)CCN1CCCC1
InChIInChI=1S/C15H31N/c1-14(2)8-7-9-15(3,4)10-13-16-11-5-6-12-16/h14H,5-13H2,1-4H3
InChIKeyYJUZAAOSDVYHJK-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
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1-(5-methylhexyl)-1,5-diazocane
CID 115326852
N-[2-(azepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575903
1-(3,3-dimethylbutyl)azocane
CID 166986973
5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine
CID 15030040
1-hydroxy-4-(4-methylpentyl)piperazine
CID 59781141
N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine
CID 62623158
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182
4-(azocan-1-yl)-2-methylbutan-2-amine
CID 64678909
4-(azepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64796292
1-(3,3-dimethylnonyl)-4-methylpiperazine
CID 130279458

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,7-trimethyloctyl)pyrrolidine?
The IUPAC name of 1-(3,3,7-trimethyloctyl)pyrrolidine (CID 123349263) is 1-(3,3,7-trimethyloctyl)pyrrolidine.
What is the SMILES notation for 1-(3,3,7-trimethyloctyl)pyrrolidine?
The canonical SMILES for 1-(3,3,7-trimethyloctyl)pyrrolidine is CC(C)CCCC(C)(C)CCN1CCCC1.
What is the InChIKey of 1-(3,3,7-trimethyloctyl)pyrrolidine?
The InChIKey is YJUZAAOSDVYHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-14(2)8-7-9-15(3,4)10-13-16-11-5-6-12-16/h14H,5-13H2,1-4H3.
What are the key properties of 1-(3,3,7-trimethyloctyl)pyrrolidine?
1-(3,3,7-trimethyloctyl)pyrrolidine has a molecular weight of 225.42 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,7-trimethyloctyl)pyrrolidine is sourced from PubChem (CID 123349263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).